diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate

C12H15N3O6 — CID 121003307

IUPACdiethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(=NNC(N)=O)cc(C(=O)OCC)o1
InChIInChI=1S/C12H15N3O6/c1-3-19-10(16)8-5-7(14-15-12(13)18)6-9(21-8)11(17)20-4-2/h5-6H,3-4H2,1-2H3,(H3,13,15,18)
InChIKeyAVIURFMXIGPZCQ-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.12
Rot. Bonds5

About diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate

diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate (PubChem CID 121003307) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate
PubChem CID121003307
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Namediethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(=NNC(N)=O)cc(C(=O)OCC)o1
InChIInChI=1S/C12H15N3O6/c1-3-19-10(16)8-5-7(14-15-12(13)18)6-9(21-8)11(17)20-4-2/h5-6H,3-4H2,1-2H3,(H3,13,15,18)
InChIKeyAVIURFMXIGPZCQ-UHFFFAOYSA-N
XLogP0.12
TPSA133.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
CID 10331966
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
CID 70977027
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
CID 5377214
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
CID 2801547
ethyl 5-(2,2-dichloroacetyl)furan-2-carboxylate
CID 146010164
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate?
The IUPAC name of diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate (CID 121003307) is diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate is CCOC(=O)c1cc(=NNC(N)=O)cc(C(=O)OCC)o1.
What is the InChIKey of diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate?
The InChIKey is AVIURFMXIGPZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-3-19-10(16)8-5-7(14-15-12(13)18)6-9(21-8)11(17)20-4-2/h5-6H,3-4H2,1-2H3,(H3,13,15,18).
What are the key properties of diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate?
diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate has a molecular weight of 297.27 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(carbamoylhydrazinylidene)pyran-2,6-dicarboxylate is sourced from PubChem (CID 121003307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).